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I(H(Math.round(N+q))),I(H(Math.round(n-o))));Y(g,I(H(Math.round(S-q))),I(H(Math.round(M+o))),I(H(Math.round(N-q))),I(H(Math.round(n+o))));Z(g,Ky);break;case 3:m=I(H(Math.round(S)));i=I(H(Math.round(M)));N=I(H(Math.round(N)));n=I(H(Math.round(n)));Y(g,m,i,N,n);S=I(H(Math.round(aa*z)));M=I(H(Math.round(aa*w)));Y(g,m+S,i-M,N+S,n-M);Y(g,m-S,i+M,N-S,n+M);break;case 9:case 0:for(i=0;10>i;++i)F=S-(S-N)/10*i,J=M-(M-n)/10*i,Y(g,I(H(Math.round(F))),I(H(Math.round(J))),I(H(Math.round(F))),I(H(Math.round(J))));
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0;10>i;++i)F=S-(S-N)/10*i,J=M-(M-n)/10*i,m=i/10,Y(g,I(H(Math.round(F+q*m))),I(H(Math.round(J-o*m))),I(H(Math.round(F-q*m))),I(H(Math.round(J+o*m))))}else Y(g,I(H(Math.round(S))),I(H(Math.round(M))),I(H(Math.round(N))),I(H(Math.round(n))))}}w=v(QC,k,-1,f.t+1,1);z=v(E,r,-1,f.t+1,1);for(h=1;h<=f.u;++h)i=f.H[h],m=f.I[h],l=f.J[i],n=f.J[m],++z[i],++z[m],w[i]=w[i]/z[i]+n/z[i],w[m]=w[m]/z[m]+l/z[m];nD(g,f.n.k);m=iz(f.n.n.d).b;M=v(fr,k,1,f.t+1,0);N=v(E,r,-1,f.t+1,1);n=v(E,r,-1,f.t+1,1);l=v(wF,k,94,f.t+1,0);
for(h=1;h<=f.t;++h)i=xF(f,h),(null==i||1>i.length)&&(i=Aa),3==f.d[h]&&0<f.z[h]&&0==f.A[h]?(M[h]=i,N[h]=n[h]=Rz(f.n.n,i),l[h]=yF(f,h,N[h],N[h],m,!1)):(S=w[h]<f.J[h],F=!0,1<z[h]&&(0>=w[h]-f.J[h]?0-(w[h]-f.J[h]):w[h]-f.J[h])<25*f.n.z/3&&(F=!1),2<z[h]&&(F=!1),1==z[h]&&(0>=w[h]-f.J[h]?0-(w[h]-f.J[h]):w[h]-f.J[h])<25*f.n.z/10&&(S=!0),o=i,J=j,f.n.xb&&0<f.x[h]&&(J+=ac,1<f.x[h]&&(J+=f.x[h])),q=j,0!=f.A[h]&&(1<cj(f.A[h])&&(q+=cj(f.A[h])),0<f.A[h]?q+=Ba:q+=Ea),S||!F?i=i+J+q+j:i=q+J+j+i,F||(o=i),M[h]=i,o=Rz(f.n.n,
o),q=Rz(f.n.n,i),N[h]=o,n[h]=q,q=l[h]=yF(f,h,o,q,m,S),S=q.d+1+1,o=q.e+m,Z(g,f.n.s),-1==f.k&&0!=f.c[h]&&Z(g,(dF(),hF)[f.c[h]]),tz(g,q.d,q.e,q.c,q.b),1==f.k?0!=f.c[h]?Z(g,(dF(),hF)[f.c[h]]):Z(g,(Ey(),Ky)):Z(g,(dF(),hB)[f.d[h]]),mD(g,i,S,o));for(i=1;i<=f.y;++i)h=f.q[i][0],o=N[h],q=n[h],S=I(H($B(f.J[h]-o/2))),o=I(H($B(f.M[h]+~~(m/2)-1))),Z(g,(Ey(),Oy)),mD(g,da+f.q[i][1],S+q,o);if(0<f.D||0<f.E)if(Z(g,104==f.n.c?(Ey(),Ly):(Ey(),Qy)),0<f.D&&106!=f.n.c&&(q=l[f.D],lD(g,q.d,q.e,q.c,q.b)),0<f.E&&(i=f.H[f.E],
m=f.I[f.E],o=f.J[m]-f.J[i],z=f.M[m]-f.M[i],w=Math.sqrt(o*o+z*z),1>w&&(w=1),z/=w,w=o/w,q=(aa+1)*z,o=(aa+1)*w,J=v(E,r,-1,5,1),F=v(E,r,-1,5,1),J[0]=I(H($B(f.J[i]+q))),J[1]=I(H($B(f.J[m]+q))),F[0]=I(H($B(f.M[i]-o))),F[1]=I(H($B(f.M[m]-o))),J[3]=I(H($B(f.J[i]-q))),J[2]=I(H($B(f.J[m]-q))),F[3]=I(H($B(f.M[i]+o))),F[2]=I(H($B(f.M[m]+o))),J[4]=J[0],F[4]=F[0],106!=f.n.c&&(aa=g,h=J,z=F,iD(aa,!1),gD(aa,qD(aa,h,z,5,!0))),106==f.n.c&&zF(f,f.H[f.E],f.I[f.E]))){aa=0;for(h=1;h<=f.t;++h)0<f.b[h]&&++aa;if(aa>~~(f.t/
2))for(h=1;h<=f.t;++h)0<f.b[h]?f.b[h]=0:f.b[h]=1;Z(g,(Ey(),Ly));for(h=1;h<=f.t;++h)0<f.b[h]&&(q=l[h],lD(g,q.d,q.e,q.c,q.b))}}}a.x||(a.kb?(Z(e,(Ey(),Jy)),Y(e,c-1,0,c-1,b-1)):(Z(e,Sy(qB)),Y(e,c-1,0,c-1,b-1),Z(e,qB),Y(e,c-2,0,c-2,b-1),Z(e,fF),Y(e,c-3,0,c-3,b-1)));a.tb&&(d=~~((c-48)/2),Z(e,(Ey(),Oy)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.x&&(a.R=new gz(bc,0,a.C),a.U=new Qz(a.R),null!=a.ab&&(d=Rz(a.U,a.ab),c=I(H(Math.round((c-d)/2))),b-=a.C,
Z(e,(Ey(),Ky)),nD(e,a.R),mD(e,a.ab,c,b)));DC(a.Fb,a.bb,a.X,2*a.X+a.Q)}}
function sF(a,b,c,d,e){var f,g,h,i,l;f=~~(a.X/4);g=!1;i=v(E,r,-1,9,1);l=v(E,r,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)h=6.283185307179586/e*(f-0.5),i[f]=G(c+a*Math.sin(h)),l[f]=G(d+a*Math.cos(h));f=e+1;iD(b,!1);gD(b,qD(b,i,l,f,2<f));if(g){for(f=0;f<=e;++f)h=6.283185307179586/e*(f-0.5),i[f]=G(c+(a-3)*Math.sin(h)),l[f]=G(d+(a-3)*Math.cos(h));Y(b,i[0],l[0],i[1],l[1]);Y(b,i[2],l[2],i[3],l[3]);Y(b,i[4],l[4],i[5],l[5])}}
function AF(a){var b,c,d;if(a.jb){d=a.Cb.b;b=a.A.c;c=2*a.X+a.Q;Z(d,qB);tz(d,0,0,b,c);a.kb?(Z(d,(Ey(),Jy)),c=13*(a.X+a.Q),lD(d,c,0,b-c-1,2*a.X+a.Q-1)):(Z(d,Sy(qB)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),Z(d,fF),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)oF(a,d,b,1),oF(a,d,b,2);a.c=c;DC(a.Fb,a.Cb,0,0)}}
function qF(a,b,c,d,e){var f,g,h,i,l,m,n,o;l=~~(d/4);m=2+~~(l/2);g=2+l;o=c+~~(10*d/24);i=o+l;n=b+d;e?(h=2+b,f=m+b,g+=b):(f=n-m,h=n-2,g=n-g);Y(a,h,o,f,i);Y(a,g,o,f,i);h=~~(l/3);Y(a,f,o+h,f,i);f=d-m-4;i=270;e?(b+=m,e=270):(b=n-f-m,i*=-1,e=-90);hD(a,b,c+m-h,f,d-4-h-1,e,i)}
function QE(a,b){var c,d,e,f,g,h,i;uB(a);if(0==b.indexOf("$RXN")){a.tb=!0;a.fb=!0;g=BF(b);i=new UA(b,g,!0);d=j;for(c=1;5>=c;++c)d=CF(i,g);c=WB(BA(xn(d.substr(0,3)),10)).b;f=WB(BA(xn(d.substr(3,3)),10)).b;CF(i,g);for(d=1;d<=c+f;++d){for(e=j;!(h=CF(i,g),null==h||C(h,"$MOL"));)e+=h+g;a.cb[++a.ob]=new DF(a,e)}kF(a,1,c,1);kF(a,c+1,c+f,3)}else{a.tb=!1;a.Y=new DF(a,b);if(!a.Y||0==a.Y.t)return a.gb=!0,a.I="ERROR - problems in reading/processing MOL input",fB(a),!1;null!=a.i&&a.Y&&lB(a.Y,a.i,!0);null!=a.j&&
a.Y&&lB(a.Y,a.j,!1);g=EF(a.Y,!1);if(1==g)a.cb[++a.ob]=a.Y;else{a.fb=!0;for(d=1;d<=g;++d)a.cb[++a.ob]=new FF(a,a.Y,d)}a.e=1;a.Y=a.cb[a.e];kF(a,1,g,0)}fB(a);return!0}
function GF(a,b){var c,d,e,f,g,h,i,l;uB(a);c=f=0;l=new UA(b,"|>",!0);e=-1<b.indexOf(vb);h=1;g=NA(l);a.ob=0;for(d=1;d<=g;++d)if(i=RA(l),xn(i),!C(i,Ug))if(C(i,vb))++h,2==h?f=a.ob:3==h&&(c=a.ob+1);else{a.Y=new wB(a,i);if(0==a.Y.t)return a.gb=!0,a.I="ERROR - problems in reading/processing molecule !",nA(),!1;++a.ob;a.e=a.ob;a.cb[a.ob]=a.Y}if(2==h)return a.gb=!0,a.I="ERROR - strange reaction - fixing !",nA(),!1;if(3<h)return a.gb=!0,a.I="ERROR - strange reaction !",nA(),!1;1<a.ob&&!e&&eB(a,wf);e&&!a.tb&&
eB(a,Vf);!e&&a.tb&&eB(a,Af);e?(kF(a,1,f,1),kF(a,f+1,c-1,2),kF(a,c,a.ob,3)):kF(a,1,a.ob,0);fB(a);return!0}function Rp(a,b){a.gb=!0;a.I=b}
function Vp(a,b){var c,d;if(0!=b){SC(a);c=a.c;a.c=b;if(300>=b)switch(a.jb=!0,a.hb=!0,b){case 102:mF(a);d=a.Z;d.b=d.c;d.c.d=null;break;case 110:a.ib=!0;a.c=c;a.Z.b!=a.Z.c&&a.Z.b.c!=a.Z.c?a.f&&(++a.ob,a.e=a.ob,a.f=!1):(a.gb=!0,a.I="No more undo");if(!(a.Z.b!=a.Z.c&&a.Z.b.c!=a.Z.c))break;d=a.Z;if(!(d.b!=d.c&&d.b.c!=d.c))throw new Dt("Cannot undo. Index is out of range.");if(!d.b.c)throw new Dt(ec);d.b=d.b.c;HF(a,d.b.b);a.ib=!0;break;case 111:a.c=c;if(a.Z.b.d)a.f&&(++a.ob,a.e=a.ob,a.f=!1);else{a.gb=!0;
a.I="No more redo";break}if(!a.Z.b.d)break;d=a.Z;if(!d.b.d)throw new Dt("Cannot redo. Index is out of range.");if(!d.b.d)throw new Dt(ec);d.b=d.b.d;HF(a,d.b.b);a.ib=!0;break;case 152:a.c=c;d=a.vb;0<d.b?(--d.b,d=As(d,d.b)):d=null;null==d?(a.gb=!0,a.I=qc):(Rp(a,mc+(a.vb.b+1)),d=bC(d),mB(a,d,!1));break;case 151:d=a.vb;d.b<d.d-1?(++d.b,d=As(d,d.b)):d=null;null==d?(a.gb=!0,a.I=qc):(Rp(a,mc+(a.vb.b+1)),d=bC(d),mB(a,d,!1));break;case 101:a.yb&&ZE(a.yb);a.yb=new IF(1,a);a.c=c;break;case 107:!a.rb?a.rb=new JF(a):
a.rb.Tb.d.hb?mE(a.rb.Tb.d):oB(a.rb);break;case 113:a.b&&ZE(a.b);a.b=new IF(0,a);a.c=c;break;case 103:a.ib=!0;a.lb=!0;a.c=c;break;case 105:a.ib=!0;a.q&&a.db&&(a.db=!1,gB(a.Y),a.c=c);a.w=1;break;case 112:nA();case 109:a.c=c;d=KF(a.Y);if(2==d){a.gb=!0;a.I="Copying the agent not possible !";break}d=v(QC,k,-1,4,1);RC(a.Y,d);a.ib=!0;a.Y=new jF(a.Y);d=G(~~((a.A.c-a.X)/2)-d[0]);for(c=1;c<=a.Y.t;++c)a.Y.J[c]+=2*d;xB(a.Y);a.cb[++a.ob]=a.Y;a.e=a.ob;break;case 104:0<a.Y.D?(a.ib=!0,NC(a.Y,a.Y.D),a.Y.D=0,UC(a)):
0<a.Y.E&&(a.ib=!0,OC(a.Y,a.Y.E),a.Y.E=0,UC(a));WC(a.Y);break;case 213:a.c=c;if(!a.D){var e,f,g,h;h=new Mz;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new Fz(c),Lz(h,g),g.d=c,by(g.e,a);cx(a,h);a.D=h}XE(a.D.b,a,a.E.b,a.E.c)}else{a.hb=!0;a.jb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(ZE(a.o),a.o=null);
0==a.Y.D&&(a.o=new IF(2,a));a.d=18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Y.D&&(a.ib=!0,a.d!=a.Y.d[a.Y.D]&&18!=a.d&&(a.Y.d[a.Y.D]=a.d,a.Y.A[a.Y.D]=0,a.Y.x[a.Y.D]=0,UC(a)),18==a.d&&(d=Kn((Sp(),Tp).Tb.b.pb,Mg),LF(a.Y,a.Y.D,d),UC(a)),WC(a.Y))}fB(a)}}
function Op(a){var b,c,d;d=yB(a);c=j;if(a.tb){var e,f,g;g=Vq([4,a.ob+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.ob;++b)KF(a.cb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(MF(g[1][0],3)+MF(g[3][0],3)+ba);for(b=1;b<=g[1][0];++b)c+=pa+NF(a.cb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=pa+NF(a.cb[g[3][b]],d)}else 1<a.ob&&(a.Y=new OF(a,a.cb,a.ob)),c=NF(a.Y,d),1<a.ob&&(a.Y=a.cb[a.e]);return c}
function KC(a,b,c,d){var e;e=c;var f=d,g,h;h=LC(b);g=0!=(b.f&2);h||g?(g=a.tb?(!a.v&&(a.v=bB(a,!0)),a.v):(!a.u&&(a.u=bB(a,!1)),a.u),XE(g.b,a,e,f),e=!0):e=!1;if(!e&&!a.x)if(a.gb=!1,a.Db=c-a.X,a.Eb=d-(2*a.X+a.Q),a.gb=!0,a.I=j,a.db=PC(b),a.eb=!1,c<a.X||d<2*a.X+a.Q){e=0;for(b=1;13>=b;++b)if(c<b*(a.X+a.Q)){e=b;break}c=0;for(b=1;b<=cB+2;++b)if(d<b*(a.X+a.Q)){c=b;break}0==e||0==c||(d=100*c+e,112==d||!a.qb&&107==d||!a.Ab&&201==d||!a.fb&&103==d||!a.nb&&!a.q&&105==d||!a.tb&&109==d||Vp(a,d))}else if(!(d>a.A.b-
a.X-1)){a.eb=!0;c-=a.X;d-=2*a.X+a.Q;if(0<a.Y.D)if(104==a.c)NC(a.Y,a.Y.D),a.Y.D=0,UC(a);else{if(106==a.c)return;if(108==a.c)PF(a.Y,a.Y.D,0),UC(a);else if(157==a.c)PF(a.Y,a.Y.D,1),UC(a);else if(158==a.c)PF(a.Y,a.Y.D,-1),UC(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.N=1,X(a.Y,0),a.Y.F=a.Y.D,205==a.c?(a.Y.v=1,a.Y.j[1]=a.Y.t,a.Y.j[0]=a.Y.D,a.Y.E=0):UC(a);else if(206<=a.c&&229>=a.c)a.N=2,QF(a.Y),UC(a);else if(230==a.c)a.N=3,UC(a);else if(233<=a.c&&262>a.c)RF(a.Y,!1),UC(a),a.N=3;else if(107==
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1;++a.z[a.D];TC(a);a.s[a.u]=1;203==a.n.c&&(a.s[a.u]=2);204==a.n.c&&(a.s[a.u]=3);a.H[a.u]=a.D;a.I[a.u]=a.t;201==a.n.c&&TF(a,a.u);a.G[a.t][1]=a.D;a.G[a.D][a.z[a.D]]=a.t;a.K[a.u]=I(H($B((a.J[a.D]+a.J[a.t])/2)));a.N[a.u]=I(H($B((a.M[a.D]+a.M[a.t])/2)));a.L=a.J[a.t];a.O=a.M[a.t]}
function RF(a,b){var c;a.F=a.D;c=0;if(233==a.n.c||237==a.n.c||236==a.n.c||239==a.n.c||251==a.n.c||252==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.p=!1,a.D=a.t-1,X(a,0),a.D=a.t-2,X(a,0),237==a.n.c&&(a.d[a.t]=10,a.d[a.t-1]=10,a.d[a.t-2]=10),236==a.n.c&&(a.d[a.t]=9,a.d[a.t-1]=9,a.d[a.t-2]=9),239==a.n.c&&(a.d[a.t]=5,a.d[a.t-1]=5,a.d[a.t-2]=5,a.d[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),252==a.n.c&&(a.d[a.t]=5,a.d[a.t-1]=5,a.d[a.t-2]=4,a.d[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),251==a.n.c&&(a.d[a.t]=5,a.d[a.t-1]=5,a.d[a.t-
2]=5,a.d[a.t-3]=7,a.s[a.u]=2),c=4;else if(244==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,X(a,0),a.d[a.t]=8,a.D=a.t,a.p=!0,X(a,0),a.p=!1,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.s[a.u]=2,a.D=a.t-2,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=5;else if(234==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,a.n.pb&&PF(a,a.D,1),X(a,0),a.d[a.t]=5,a.s[a.u]=2,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.n.pb?(a.s[a.u]=1,PF(a,a.t,-1)):a.s[a.u]=2,c=3;else if(235==a.n.c)X(a,0),a.D=a.t,X(a,0),a.d[a.t]=5,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=3;else if(240==a.n.c)X(a,0),a.D=
a.t,X(a,0),a.d[a.t]=5,a.D=a.t,X(a,0),a.D=a.t-2,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)X(a,0),a.D=a.t,X(a,0),a.d[a.t]=4,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,X(a,0),a.D=a.t,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)X(a,0),a.d[a.t]=5,a.D=a.t,X(a,0),a.D=a.t,X(a,0),a.D=a.t-1,X(a,0),a.s[a.u]=2,a.d[a.t]=5,c=4;else if(243==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,X(a,0),a.D=a.t-1,X(a,0),c=3;else if(238==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.s[a.u]=
3,a.p=!1,c=2;else if(249==a.n.c)X(a,0),a.D=a.t,X(a,0),a.s[a.u]=2,a.d[a.t]=5,c=2;else if(250==a.n.c)X(a,0),a.s[a.u]=2,a.d[a.t]=5,c=1;else if(245==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.D=a.t,a.s[a.u]=3,X(a,0),a.p=!1,c=3;else if(242==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.s[a.u]=3,a.d[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)X(a,0),a.d[a.t]=9,c=1;else if(255==a.n.c)X(a,0),a.d[a.t]=10,c=1;else if(256==a.n.c)X(a,0),a.d[a.t]=11,c=1;else if(257==a.n.c)X(a,0),a.d[a.t]=12,c=1;else if(258==a.n.c)X(a,0),a.d[a.t]=4,
c=1;else if(259==a.n.c)X(a,0),a.d[a.t]=5,c=1;else if(246==a.n.c)X(a,0),a.D=a.t,X(a,0),c=2;else if(247==a.n.c)X(a,0),a.D=a.t,X(a,0),a.D=a.t,X(a,0),c=3;else if(248==a.n.c)X(a,0),a.D=a.t,X(a,0),a.D=a.t,X(a,0),a.D=a.t,X(a,0),c=4;else if(253==a.n.c){var d,e,f,g,h,i,l,m,n,o,q;if(a.n.Bb){c=0;m=a.n.Bb;for(l=1;l<=m.y;++l)d=m.q[l][0],1==m.q[l][1]&&(c=d);d=a.t;l=a.D;X(a,0);e=a.J[a.t];g=a.M[a.t];NC(a,a.t);e=a.J[l]-e;g=a.M[l]-g;i=Math.sqrt(e*e+g*g);g/=i;e/=i;for(i=1;i<=m.t;++i)UF(a),a.d[a.t]=m.d[i],a.A[a.t]=m.A[i],
a.x[a.t]=m.x[i],a.J[a.t]=m.J[i],a.M[a.t]=m.M[i];for(i=1;i<=m.u;++i)TC(a),a.H[a.u]=m.H[i]+d,a.I[a.u]=m.I[i]+d,a.s[a.u]=m.s[i];xB(a);a.D=c+d;X(a,0);m=a.J[a.t];o=a.M[a.t];NC(a,a.t);f=a.J[c+d]-m;h=a.M[c+d]-o;i=Math.sqrt(f*f+h*h);h/=i;f/=i;for(i=d+1;i<=a.t;++i)a.J[i]-=m,a.M[i]-=o,n=a.J[i]*f+a.M[i]*h,q=a.M[i]*f-a.J[i]*h,a.J[i]=n,a.M[i]=q,n=-a.J[i]*e+a.M[i]*g,q=-a.M[i]*e-a.J[i]*g,a.J[i]=n,a.M[i]=q,a.J[i]+=a.J[l],a.M[i]+=a.M[l];TC(a);a.H[a.u]=l;a.I[a.u]=c+d;xB(a);b&&(NC(a,l),lF(a))}c=4}jG(a,c);a.D=a.F;b&&
(a.D=0)}
function iG(a,b,c,d){var e,f,g,h,i;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];h=-(a.M[f]-a.M[e]);i=Math.sqrt(g*g+h*h);0.001>i&&(i=0.001);h/=i;g/=i;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*h?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*h):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*h)?(g=a.J[b]-a.J[e],h=a.M[b]-a.M[e],i=Math.sqrt(g*g+h*h),0.001>i&&(i=0.001),h/=i,g/=i,d[0]=a.J[e]+i*g-c*h,d[1]=a.M[e]+c*g+i*h):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,h=a.M[b]-e,i=Math.sqrt(g*g+h*h),0.001>i&&(i=0.001),d[0]=a.J[b]+
c*g/i,d[1]=a.M[b]+c*h/i)}
function QF(a){var b,c,d,e,f,g,h,i,l,m,n,o,q;l=-1;h=6;switch(a.n.c){case 206:h=3;break;case 207:h=4;break;case 208:case 221:case 223:h=5;break;case 210:case 209:h=6;break;case 211:h=7;break;case 212:h=8;break;case 229:h=9}f=6.283185307179586/h;i=625*a.n.z*a.n.z/2/(1-Math.cos(f));i=Math.sqrt(i);if(0<a.D)if(2>a.z[a.D])kG(a,h,f,i);else if(a.n.db){if(209==a.n.c||221==a.n.c||223==a.n.c){Rp(a.n,"ERROR - cannot add aromatic spiro ring !");a.n.N=9;return}for(d=1;d<=a.z[a.D];++d)if(b=a.s[hG(a,a.D,a.G[a.D][d])],
2<d||1!=b){Rp(a.n,"ERROR - spiro ring not possible here !");a.n.N=9;return}b=v(QC,k,-1,2,1);iG(a,a.D,i,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=h;++d)UF(a),n=f*d+1.5707963267948966,a.J[a.t]=b[0]+i*(Math.sin(n)*e-Math.cos(n)*g),a.M[a.t]=b[1]+i*(Math.cos(n)*e+Math.sin(n)*g)}else l=a.D,X(a,0),a.D=a.t,kG(a,h,f,i);else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!=b?d=a.G[c][1]:d=a.G[c][2],
m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;n=m/2;q=i*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);o=a.J[b]+n*e-q*g;q=a.M[b]+q*e+n*g;for(d=1;d<=h;++d)UF(a),n=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=o+i*(Math.sin(n)*e-Math.cos(n)*g),a.M[a.t]=q+i*(Math.cos(n)*e+Math.sin(n)*g),1==m?(d==h&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==h-1&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c])):
(d==h-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==h&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==h&&(b=0);for(d=1;d<=h;++d)UF(a),n=f*(d-b),a.J[a.t]=a.L+i*Math.sin(n),a.M[a.t]=a.O+i*Math.cos(n)}b=h;i=0;for(f=1;f<=b;++f)TC(a),a.s[a.u]=1,i=a.t-b+f,a.z[i]=2,a.H[a.u]=i,a.I[a.u]=i+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],i=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&&(b=a.G[a.I[a.E]][1],
i=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==i||a.H[f]==i&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(i=a.G[a.H[a.E]][f],1<a.s[hG(a,a.H[a.E],i)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(i=a.G[a.I[a.E]][f],1<a.s[hG(a,
a.I[a.E],i)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.d[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.d[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.d[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.d[a.t-2]=5);i=v(E,r,-1,a.t+1,1);for(f=1;f<=h;++f)b=a.t-h+f,c=a.u-h+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=I(H($B((a.J[b]+a.J[e])/2))),a.N[c]=I(H($B((a.M[b]+a.M[e])/2)));a.G[a.t-
h+1][1]=a.t;a.G[a.t][2]=a.t-h+1;for(f=a.t-h+1;f<=a.t;++f){i[f]=0;g=51;c=0;for(b=1;b<=a.t-h;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(i[f]=c)}g=a.u-h;f=g+1;a:for(;f<=g+h;++f)if(b=a.H[f],e=a.I[f],0<i[b]&&0<i[e]){for(c=1;c<=g;++c)if(a.H[c]==i[b]&&a.I[c]==i[e]||a.I[c]==i[b]&&a.H[c]==i[e])continue a;TC(a);a.s[a.u]=a.s[f];a.H[a.u]=i[b];a.G[i[b]][++a.z[i[b]]]=i[e];a.I[a.u]=i[e];a.G[i[e]][++a.z[i[e]]]=i[b];a.K[a.u]=I(H($B((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2)));
a.N[a.u]=I(H($B((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<i[b]?(TC(a),a.s[a.u]=a.s[f],a.H[a.u]=i[b],a.G[i[b]][++a.z[i[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=i[b],a.K[a.u]=I(H($B((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=I(H($B((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<i[e]&&(TC(a),a.s[a.u]=a.s[f],a.H[a.u]=i[e],a.G[i[e]][++a.z[i[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=i[e],a.K[a.u]=I(H($B((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=I(H($B((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-h;for(f=a.t;f>d;--f)if(0<i[f]&&
(NC(a,f),3==a.d[i[f]])){m=0;for(b=1;b<=a.z[i[f]];++b){e=a.G[i[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==i[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==i[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+h;++c)a.s[c]=1}0<a.D&&jG(a,h);-1<l&&(a.D=l)}
function kG(a,b,c,d){var e,f,g,h,i,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);i=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)UF(a),h=c*g-1.5707963267948966,a.J[a.t]=i+d*(Math.sin(h)*f-Math.cos(h)*e),a.M[a.t]=l+d*(Math.cos(h)*f+Math.sin(h)*e)}function jG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=MC(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)}
function hG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function lG(a,b,c){var d,e,f,g;e=Vg;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Gr(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Gr(c[d])&&!vr(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)Ar(c[d],e)&&(b[d]=g,c[d]=Vg,++f);if(f==a.t)break}return g==a.t}
function lF(a){var b,c,d;b=v(QC,k,-1,4,1);d=c=0;a.n&&a.n.A&&0<a.n.A.c&&(c=a.n.A.c-a.n.X,d=a.n.A.b-3*a.n.X);if(0>=c||0>=d)a.w=!0;else{RC(a,b);c=~~(c/2)-I(H(Math.round(b[0])));d=~~(d/2)-I(H(Math.round(b[1])));if(!a.n.mb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;VC(a)}}
function RC(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
function PF(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=mG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.d[b]){case 2:2<d&&Rp(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Rp(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Rp(a.n,"Charge change not possible on multibonded N or P !"):
3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Rp(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Rp(a.n,"Charge change not possible on the halogen !");break;case 18:Rp(a.n,
"Use X button to change charge on the X atom !")}}
function EF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(E,r,-1,a.t+1,1);;){for(e=1;e<=a.t;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=v(E,r,-1,f+1,1);for(c=1;c<=a.t;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.t;1<=c;--c)a.b[c]!=d&&NC(a,c);lF(a);Rp(a.n,"Smaller part(s) removed !");return 1}
function MC(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
function XC(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.d[b]&&3!=a.d[c]&&a.n.pb)continue;if(1==a.d[b]||1==a.d[c])continue;if(2==a.d[b]||2==a.d[c])continue;if(9==a.d[b]||10==a.d[b]||11==a.d[b]||12==a.d[b]||9==a.d[c]||10==a.d[c]||11==a.d[c]||12==a.d[c])continue;a.A[b]=0;a.A[c]=0;++a.s[d];WC(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),WC(a));4==a.s[d]&&(a.s[d]=1)}}
function gG(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function xB(a){var b;nG(a);b=a.s.length;a.K=v(E,r,-1,b,1);a.N=v(E,r,-1,b,1);VC(a);WC(a)}
function UF(a){var b,c;++a.t;a.t>a.d.length-1&&(c=a.d.length+10,b=v(E,r,-1,c,1),hC(a.d,b,a.d.length),a.d=b,b=v(E,r,-1,c,1),hC(a.A,b,a.A.length),a.A=b,b=v(E,r,-1,c,1),hC(a.x,b,a.x.length),a.x=b,b=v(E,r,-1,c,1),hC(a.c,b,a.c.length),a.c=b,b=v(fr,k,1,c,0),hC(a.e,b,a.e.length),a.e=b,b=v(fr,k,1,c,0),hC(a.o,b,a.o.length),a.o=b,b=v(QC,k,-1,c,1),hC(a.J,b,a.J.length),a.J=b,b=v(QC,k,-1,c,1),hC(a.M,b,a.M.length),a.M=b,b=Vq([c,7]),hC(a.G,b,a.G.length),a.G=b,c=v(E,r,-1,c,1),hC(a.z,c,a.z.length),a.z=c);a.d[a.t]=
3;a.A[a.t]=0;a.c[a.t]=0;a.e[a.t]=null;a.x[a.t]=0}function yF(a,b,c,d,e,f){var g;g=I(H($B(a.J[b]-c/2)));f||(g-=d-c);a=I(H($B(a.M[b]-~~(e/2))));return new Lx(g-1-1,a-1,d+1+2,e+2)}
function TC(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(E,r,-1,b,1),hC(a.H,c,a.H.length),a.H=c,c=v(E,r,-1,b,1),hC(a.I,c,a.I.length),a.I=c,c=v(E,r,-1,b,1),hC(a.s,c,a.s.length),a.s=c,c=v(E,r,-1,b,1),hC(a.B,c,a.B.length),a.B=c,c=v(E,r,-1,b,1),hC(a.K,c,a.K.length),a.K=c,c=v(E,r,-1,b,1),hC(a.N,c,a.N.length),a.N=c,b=v(fr,k,1,b,0),hC(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null}
function NF(a,b){var c,d,e,f,g,h,i;if(0==a.t)return j;h=b;79<b.length&&(h=b.substr(0,76)+"...");h+=(dF(),ba);h+="JME 2013.01 "+new uC+"\n \n";h+=MF(a.t,3)+MF(a.u,3);h+="  0  0  0  0  0  0  0  0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){h+=WF(0.055999999999999994*(a.J[e]-c),10,4)+WF(0.055999999999999994*(g-a.M[e]),10,4)+WF(0,10,4);i=xF(a,e);1==i.length?i+="  ":2==i.length?i+=da:3<i.length&&(i="Q  ");
h+=da+i;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);i=" 0"+MF(d,3)+"  0  0  0  0  0  0  0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?i+=MF(f,3):i+="  0";h+=i+"  0  0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:oG(a,e)&&(g=2),c=MF(a.H[e],3)+MF(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=MF(a.I[e],3)+MF(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=MF(a.I[e],3)+MF(a.H[e],3)),h+=c+MF(g,3)+MF(d,3)+"  0  0  0\n";
for(e=1;e<=a.t;++e)0!=a.A[e]&&(h+="M  CHG  1"+MF(e,4)+MF(a.A[e],4)+ba);return h+"M  END\n"}
function XF(a){var b,c,d,e,f,g,h,i,l,m,n,o,q,w,F,z,J,N,S,aa,M,hc,yc,Qf,lb,Fd,Gd,Hd,Ta,zc;n=v(E,r,-1,a.t+10,1);o=v(E,r,-1,a.t+10,1);l=v(E,r,-1,a.t+1,1);m=v(E,r,-1,7,1);lb=v(E,r,-1,a.t+1,1);w=v(pG,k,-1,a.t+1,2);F=v(pG,k,-1,a.u+1,2);hc=0;if(0==a.t)return j;EF(a,!0);Qf=!0;for(i=1;i<=a.u;++i)if(9==a.s[i]){Qf=!1;break}if(a.n.r&&Qf){qG(a);XC(a);rG(a,F);sG(a,w,F);var wb,ld,Ve,Tb,pe,md,nd,ab,XG,Kd,t,sa,xm,ym,es,cf,La,zm,Am,Dc,Bm;wb=v(E,r,-1,a.t+1,1);ld=v(E,r,-1,a.t+1,1);ab=v(tG,k,-1,a.t+1,3);var fs=a.t,Cm,
mh,gs,fg,jj,we,df;jj=v(tG,k,-1,fs+2,3);we=v(E,r,-1,100,1);df=5;fg=0;we[0]=3;jj[1]=Xg;jj[2]=Yg;gs=2;if(!(3>fs))for(;df<we[fg]*we[fg];){mh=0;for(Cm=!0;Cm&&mh<=fg&&df>=we[mh]*we[mh];)0==df%we[mh]?Cm=!1:++mh;if(Cm){jj[++gs]=Dr(df);if(gs>=fs)break;fg<we.length-1&&(++fg,we[fg]=df)}df+=2}for(t=1;t<=a.t;++t){for(sa=Am=1;sa<=a.u;++sa)(a.H[sa]==t||a.I[sa]==t)&&(Am*=a.i[sa]);zm=a.d[t];18==zm&&(Bm=a.o[t],md=Bm.charCodeAt(0)-65+1,nd=0,1<Bm.length&&(nd=Bm.charCodeAt(1)-97),0>md&&(md=0),0>nd&&(nd=0),zm=28*md+nd);
cf=0;-2>a.A[t]?cf=1:-2==a.A[t]?cf=2:-1==a.A[t]?cf=3:1==a.A[t]?cf=4:2==a.A[t]?cf=5:2<a.A[t]&&(cf=6);Dc=1;ab[t]=Dr(Am);Dc*=126;ab[t]=yr(ab[t],Dr(a.x[t]*Dc));Dc*=7;ab[t]=yr(ab[t],Dr(cf*Dc));Dc*=7;ab[t]=yr(ab[t],Dr(zm*Dc));Dc*=783;ab[t]=yr(ab[t],Dr(a.z[t]*Dc))}for(pe=0;!lG(a,wb,ab);){es=!1;for(t=1;t<=a.t;++t)wb[t]!=ld[t]&&(ld[t]=wb[t],es=!0);if(es){for(t=1;t<=a.t;++t){ab[t]=Wg;for(sa=1;sa<=a.z[t];++sa)ab[t]=Hr(ab[t],jj[wb[a.G[t][sa]]])}pe=0}else if(0<pe){for(t=1;t<=a.t;++t)ab[t]=Wg;t=1;a:for(;t<=a.t-
1;++t)for(sa=t+1;sa<=a.t;++sa)if(wb[t]==wb[sa]){ab[t]=Xg;break a}}else{for(t=1;t<=a.t;++t){ab[t]=Wg;for(sa=1;sa<=a.z[t];++sa)Ve=a.G[t][sa],ab[t]=Hr(ab[t],Dr(a.d[Ve]*a.i[hG(a,t,Ve)]))}pe=1}lG(a,wb,ab);for(t=1;t<=a.t;++t)ab[t]=Dr(ld[t]*a.t+wb[t])}for(t=1;t<=a.t;++t)ld[t]=wb[t];for(La=1;La<=a.t;++La)for(t=1;t<=a.t;++t)if(ld[t]==La){a.d[0]=a.d[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.d[t]=a.d[La];a.A[t]=a.A[La];a.J[t]=a.J[La];a.M[t]=a.M[La];a.z[t]=a.z[La];a.d[La]=a.d[0];a.A[La]=a.A[0];
a.J[La]=a.J[0];a.M[La]=a.M[0];a.z[La]=a.z[0];ld[t]=ld[La];ld[La]=La;a.o[0]=a.o[t];a.o[t]=a.o[La];a.o[La]=a.o[0];a.c[0]=a.c[t];a.c[t]=a.c[La];a.c[La]=a.c[0];a.e[0]=a.e[t];a.e[t]=a.e[La];a.e[La]=a.e[0];a.x[0]=a.x[t];a.x[t]=a.x[La];a.x[La]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=wb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=wb[a.H[t]],a.I[t]=wb[a.I[t]],a.H[t]>a.I[t]&&(Kd=a.H[t],a.H[t]=a.I[t],a.I[t]=Kd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){ym=xm=
a.t;Tb=0;for(sa=t;sa<=a.u;++sa)a.H[sa]<xm?(xm=a.H[sa],ym=a.I[sa],Tb=sa):a.H[sa]==xm&&a.I[sa]<ym&&(ym=a.I[sa],Tb=sa);Kd=a.H[t];a.H[t]=a.H[Tb];a.H[Tb]=Kd;Kd=a.I[t];a.I[t]=a.I[Tb];a.I[Tb]=Kd;Kd=a.s[t];a.s[t]=a.s[Tb];a.s[Tb]=Kd;Kd=a.B[t];a.B[t]=a.B[Tb];a.B[Tb]=Kd;XG=a.f[t];a.f[t]=a.f[Tb];a.f[Tb]=XG}xB(a);WC(a);rG(a,F);sG(a,w,F)}else{rG(a,F);a.i=v(E,r,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(E,r,-1,a.t+1,1);zc=1;a.b[1]=1;for(aa=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]>
a.b[c])&&g!=lb[c]){yc=!0;for(J=1;J<=hc;++J)if(n[J]==c&&o[J]==g||n[J]==g&&o[J]==c){yc=!1;break}yc&&(++hc,n[hc]=c,o[hc]=g)}}else m[++M]=g;if(0==M){if(zc==a.t)break;c=l[aa--]}else if(1==M)lb[m[1]]=c,c=m[1],a.b[c]=++zc;else{l[++aa]=c;e=0;for(q=1;q<=M;++q)if(i=hG(a,m[q],c),!F[i]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(i=hG(a,m[q],c),2==a.i[i]||3==a.i[i]){e=m[q];break}0==e&&(e=m[1]);lb[e]=c;c=e;a.b[e]=++zc}}lb=v(E,r,-1,a.t+1,1);b=v(E,r,-1,a.t+1,1);N=v(pG,k,-1,a.t+1,2);Fd=v(pG,k,-1,a.t+1,2);f=zc=aa=0;
for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(lb[c]=f);b[++zc]=c;for(a.b[c]=0;;){M=e=0;S=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(z=1;z<=hc;++z)if(n[z]==g&&o[z]==c||n[z]==c&&o[z]==g)continue b;0<a.b[g]&&(++M,a.b[g]<S&&(e=g,S=a.b[g]))}if(0==e){if(0==aa)break a;Fd[c]=!0;c=l[aa--]}else break}f=c;c=e;1<M&&(l[++aa]=f,N[e]=!0)}Gd=v(E,r,-1,a.u+1,1);Hd=v(E,r,-1,a.t+1,1);if(a.n.Ab){var ZG=lb,nJ=hc,hs,$G,nh,xe,is,js,Ka,kj,ks;nh=v(E,r,-1,a.t+1,1);for(Ka=1;Ka<=a.t;++Ka)nh[b[Ka]]=Ka;is=v(pG,
k,-1,a.u+1,2);for(Ka=1;Ka<=a.t;++Ka)hs=b[Ka],$G=ZG[hs],xe=hG(a,hs,$G),0!=xe&&(uG(a,xe,nh,Gd,F),is[xe]=!0);for(Ka=1;Ka<=a.u;++Ka)is[Ka]||uG(a,Ka,nh,Gd,F);Ka=1;a:for(;Ka<=a.t;++Ka)if(!(2>a.z[Ka]||4<a.z[Ka])){js=ks=0;for(kj=1;kj<=a.z[Ka];++kj){xe=hG(a,Ka,a.G[Ka][kj]);if(5==a.i[xe])continue a;1==a.s[xe]&&0!=vG(a,xe,Ka)&&++ks;2==a.s[xe]&&(js=a.G[Ka][kj])}if(0!=ks)if(0<js){var ca=a,bH=Ka,ef=nh,Rc=Hd,jc=void 0,lj=void 0,Ec=void 0,ye=void 0,Fc=void 0,Dm=void 0,Em=void 0,Fm=void 0,Ld=void 0,Sc=void 0,Tc=void 0,
ls=void 0,mj=void 0,Md=void 0,nj=void 0,ze=void 0,oj=void 0,ms=void 0,pj=void 0,Ae=void 0,cH=void 0,ff=void 0,dH=void 0,ns=void 0,qj=void 0,gf=void 0,Tc=1,lj=bH,jc=v(E,r,-1,ca.t+1,1);for(jc[1]=bH;;){ls=!1;for(Sc=1;Sc<=ca.z[lj];++Sc)if(Ec=ca.G[lj][Sc],!(Ec==jc[1]||Ec==jc[Tc-1]))if(ye=hG(ca,lj,Ec),2==ca.s[ye]&&5!=ca.i[ye]){lj=jc[++Tc]=Ec;ls=!0;break}if(!ls)break}if(!(0==Tc%2||2>ca.z[jc[Tc]]||3<ca.z[jc[Tc]])){gf=jc[1];Fc=jc[~~((Tc+1)/2)];Ld=jc[Tc];ff=Ae=ze=Md=0;ns=ms=!1;for(Sc=1;Sc<=ca.z[gf];++Sc)Ec=
ca.G[gf][Sc],ye=hG(ca,gf,Ec),1!=ca.s[ye]||5==ca.i[ye]||(0==Md?Md=Ec:ze=Ec);0<ef[ze]&&ef[Md]>ef[ze]&&(Dm=Md,Md=ze,ze=Dm);mj=Md;0==Md&&(mj=ze,ms=!0);for(Sc=1;Sc<=ca.z[Ld];++Sc)Ec=ca.G[Ld][Sc],ye=hG(ca,Ld,Ec),1!=ca.s[ye]||5==ca.i[ye]||(0==Ae?Ae=Ec:ff=Ec);0<ef[ff]&&ef[Ae]>ef[ff]&&(Dm=Ae,Ae=ff,ff=Dm);pj=Ae;0==Ae&&(pj=ff,ns=!0);nj=vG(ca,hG(ca,gf,Md),gf);oj=vG(ca,hG(ca,gf,ze),gf);cH=vG(ca,hG(ca,Ld,Ae),Ld);dH=vG(ca,hG(ca,Ld,ff),Ld);1<(0>nj+oj?-(nj+oj):nj+oj)||0!=cH||0!=dH?Rp(ca.n,"Bad stereoinfo on allene !"):
(Em=ca.J[jc[Tc-1]]-ca.J[Ld],Fm=ca.M[jc[Tc-1]]-ca.M[Ld],qj=Math.sqrt(Em*Em+Fm*Fm),0.001>qj&&(qj=0.001),0<(ca.M[pj]-ca.M[jc[Tc-1]])*(Em/qj)-(ca.J[pj]-ca.J[jc[Tc-1]])*(Fm/qj)?Rc[Fc]=1:Rc[Fc]=-1,ms&&(Rc[Fc]*=-1),ns&&(Rc[Fc]*=-1),mj==Md&&0>nj&&(Rc[Fc]*=-1),mj==ze&&0>oj&&(Rc[Fc]*=-1),ef[mj]>ef[pj]&&(Rc[Fc]*=-1))}}else b:{var kc=a,lc=Ka,oJ=ZG,pJ=nh,qJ=n,rJ=o,sJ=nJ,Gm=Hd,Hm=void 0,Uc=void 0,os=void 0,oh=void 0,za=void 0,ph=void 0,pd=void 0,rj=void 0,Nd=void 0,Gb=void 0,$=void 0,yb=void 0,Be=void 0,Im=void 0,
Vc=void 0,ja=void 0,Jm=void 0,yb=v(E,r,-1,4,1),Im=v(E,r,-1,4,1),qh=kc,Od=lc,eH=pJ,ps=oJ,fH=qJ,gH=rJ,tJ=sJ,zb=yb,sj=void 0,Wc=void 0,Km=void 0,Lm=void 0,qs=void 0,tj=void 0,tj=-1;0<ps[Od]&&(zb[++tj]=ps[Od]);for(Wc=1;Wc<=tJ;++Wc)fH[Wc]==Od&&(zb[++tj]=gH[Wc]),gH[Wc]==Od&&(zb[++tj]=fH[Wc]);for(Wc=tj+1;Wc<qh.z[Od];++Wc){qs=qh.t+1;Km=1;c:for(;Km<=qh.z[Od];++Km){sj=qh.G[Od][Km];for(Lm=0;Lm<Wc;++Lm)if(sj==zb[Lm])continue c;eH[sj]<qs&&(qs=eH[sj],zb[Wc]=sj)}}0==ps[Od]&&0<qh.x[Od]?(zb[3]=zb[2],zb[2]=zb[1],zb[1]=
zb[0],zb[0]=-1):0<qh.x[Od]&&(zb[3]=zb[2],zb[2]=zb[1],zb[1]=-1);for(za=rj=ph=oh=Jm=pd=Gb=0;4>za;++za)0>=yb[za]||(Hm=hG(kc,lc,yb[za]),Im[za]=vG(kc,Hm,lc),0<Im[za]?(++Gb,Jm=yb[za],ph=yb[za]):0>Im[za]?(++pd,oh=yb[za],ph=yb[za]):rj=yb[za]);Nd=Gb+pd;ja=v(E,r,-1,4,1);Vc=0;if(3==kc.z[lc]){if(1==Gb&&1==pd||3==Nd&&0<Gb&&0<pd){Rp(kc.n,"Error in C3H stereospecification !");break b}Be=yb[0];1==Nd?Be=ph:2==Nd&&(Be=rj);$=fG(kc,lc,Be,yb);ja[0]=ph;ja[1]=-1;ja[2]=$[2];ja[3]=$[1];0<Gb?Vc=1:Vc=-1}else if(4==kc.z[lc])if(1==
Nd)$=fG(kc,lc,ph,yb),ja[0]=$[0],ja[1]=$[3],ja[2]=$[2],ja[3]=$[1],0<Gb?Vc=1:Vc=-1;else{Be=yb[0];1<rj&&(Be=rj);1==Gb?Be=Jm:1==pd&&(Be=oh);$=fG(kc,lc,Be,yb);Uc=v(E,r,-1,4,1);for(za=0;4>za;++za)Hm=hG(kc,lc,$[za]),Uc[za]=vG(kc,Hm,lc);if(4==Nd){if(0==Gb||0==pd){Rp(kc.n,"Error in C4 stereospecification !");break b}if(1==Gb||1==pd)ja[0]=$[0],ja[1]=$[3],ja[2]=$[2],ja[3]=$[1],Vc=Uc[0];else{for(za=0;4>za;++za)-1==Uc[za]&&(Uc[za]=0);Nd=2}}else if(3==Nd)if(3==Gb||3==pd)ja[0]=$[0],ja[1]=$[3],ja[2]=$[2],ja[3]=$[1],
0<Gb?Vc=-1:Vc=1;else{1==Gb?Gb=os=1:pd=os=-1;for(za=0;4>za;++za)Uc[za]==os&&(Uc[za]=0);Nd=2}if(2==Nd)if(1==Gb&&1==pd)$[1]==oh?($[1]=$[2],$[2]=$[3]):$[2]==oh&&($[2]=$[3]),ja[0]=Jm,ja[1]=oh,ja[2]=$[2],ja[3]=$[1],Vc=1;else{if(Uc[0]==Uc[1]||Uc[1]==Uc[2]){Rp(kc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Uc[0]?(ja[0]=$[0],ja[1]=$[2],ja[2]=$[1],ja[3]=$[3]):(ja[0]=$[1],ja[1]=$[3],ja[2]=$[2],ja[3]=$[0]);1<Gb?Vc=1:Vc=-1}}var R=ja,uj=yb,fb=void 0;uj[0]==R[1]?(fb=R[0],R[0]=R[1],R[1]=fb,fb=R[2],R[2]=
R[3],R[3]=fb):uj[0]==R[2]?(fb=R[2],R[2]=R[0],R[0]=fb,fb=R[1],R[1]=R[3],R[3]=fb):uj[0]==R[3]&&(fb=R[3],R[3]=R[0],R[0]=fb,fb=R[1],R[1]=R[2],R[2]=fb);uj[1]==R[2]?(fb=R[1],R[1]=R[2],R[2]=fb,fb=R[2],R[2]=R[3],R[3]=fb):uj[1]==R[3]&&(fb=R[1],R[1]=R[3],R[3]=fb,fb=R[2],R[2]=R[3],R[3]=fb);ja[2]==yb[2]?Gm[lc]=1:ja[2]==yb[3]?Gm[lc]=-1:Rp(kc.n,"Error in stereoprocessing ! - t30");Gm[lc]*=Vc}}}Ta=new gC;h=v(E,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)h[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];N[c]&&(Ta.b.b+=xa);0<lb[q]&&wG(a,
c,lb[c],Ta,Gd);var rh=w[c],Ab=void 0,vj=void 0,sh=void 0,O=void 0,O=Zc,Ab=!1;0!=a.A[c]&&(Ab=!0);0!=Hd[c]&&(Ab=!0);sh=-1;for(vj=1;vj<=a.y;++vj)if(a.q[vj][0]==c){sh=a.q[vj][1];break}-1<sh&&(Ab=!0);a.n.zb&&0<a.c[c]&&(Ab=!0,sh=1);switch(a.d[c]){case 2:O=Ib;break;case 3:rh?O="c":O=Mb;break;case 4:rh?(O=xf,0<a.x[c]&&(Ab=!0)):O=nc;break;case 5:rh?O="o":O=uc;break;case 7:rh?(O="p",0<a.x[c]&&(Ab=!0)):O=wc;break;case 8:rh?O=eg:O=Lc;break;case 13:rh?O=ig:O=Nc;Ab=!0;break;case 6:O=Oc;Ab=!0;break;case 9:O=Xb;
break;case 10:O=Qb;break;case 11:O=Lb;break;case 12:O=cc;break;case 1:O=ac;Ab=!0;break;case 19:O=xc;Ab=!0;break;case 20:O=Ac;Ab=!0;break;case 21:O=Bc;Ab=!0;break;case 22:O=Cc;Ab=!0;break;case 18:Ab=!0,O=a.o[c],(C(O,Aa)||C(O,dd)||C(O,Db))&&(Ab=!1)}Ab&&(O=$c+O,1==Hd[c]?O+=Bb:-1==Hd[c]&&(O+=Cb),1==a.x[c]?O+=ac:1<a.x[c]&&(O+=ac+a.x[c]),0!=a.A[c]&&(0<a.A[c]?O+=Ba:O+=Ea,1<cj(a.A[c])&&(O+=cj(a.A[c]))),-1<sh&&(O+=pb+sh),O+=bd);Pm(Ta.b,O);for(z=1;z<=hc;++z)if(n[z]==c||o[z]==c)d=o[z],d==c&&(d=n[z]),h[c]<h[d]&&
wG(a,n[z],o[z],Ta,Gd),9<z&&(Ta.b.b+="%"),Om(Ta,j+(new T(z)).b);Fd[c]&&(Ta.b.b+=ya)}return Ta.b.b}
function NC(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.c[e]=a.c[e+1];a.e[e]=a.e[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)mF(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f],
c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}}
function OC(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&NC(a,c);0==a.z[d]&&NC(a,d)}
function qG(a){var b,c,d;if(!a.n.M){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.d[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.d[d]&&18>a.d[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=hG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Ab)&&NC(a,c)}}}function nG(a){var b;b=a.d.length;a.G=Vq([b,7]);a.z=v(E,r,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])}
function sG(a,b,c){var d,e,f,g,h,i,l,m,n;a.i=v(E,r,-1,a.u+1,1);n=v(pG,k,-1,a.t+1,2);for(i=1;i<=a.t;++i){n[i]=!1;b[i]=!1;a:{d=void 0;for(d=1;d<=a.z[i];++d)if(c[hG(a,i,a.G[i][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[i]+a.x[i]))switch(a.d[i]){case 3:case 4:case 7:case 5:case 8:case 13:n[i]=!0;break;case 18:n[i]=!0}}for(h=1;h<=a.u;++h)1==a.s[h]?a.i[h]=1:oG(a,h)?a.i[h]=2:3==a.s[h]&&(a.i[h]=3);h=1;a:for(;h<=a.u;++h)if(c[h]&&(f=a.H[h],g=a.I[h],n[f]&&n[g])){d=v(pG,k,-1,a.t+1,2);for(i=1;i<=a.z[f];++i)e=a.G[f][i],
e!=g&&n[e]&&(d[e]=!0);for(m=!1;;){for(i=1;i<=a.t;++i){m=!1;if(d[i]&&n[i]&&i!=f)for(l=1;l<=a.z[i];++l){e=a.G[i][l];if(e==g){b[f]=!0;b[g]=!0;a.i[h]=5;continue a}!d[e]&&n[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function VC(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=I(H($B((a.J[b]+a.J[c])/2))),a.N[d]=I(H($B((a.M[b]+a.M[c])/2)))}function rG(a,b){var c;for(c=1;c<=a.u;++c)zF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function xF(a,b){var c;c=(dF(),iB)[a.d[b]];18==a.d[b]&&(c=a.o[b]);return c}
function oG(a,b){return 2==a.s[b]?!0:!1}function zF(a,b,c){var d,e,f,g;g=1;a.b=v(E,r,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
function SF(a){var b,c;a.n.P=!0;if(a.n.zb)a.k=-1,0==a.c[a.D]?a.c[a.D]=4:a.c[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.w){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.w,a.n.q&&(a.n.db||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Vq([b+5,2]),hC(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.w;a.n.q&&(a.n.db||++a.r,c=a.r);a.q[a.y][1]=c}}function gB(a){var b;a.y=0;a.r=0;XF(a);for(b=1;b<=a.t;++b)a.D=b,SF(a);a.D=0}
function KF(a){var b,c;b=v(QC,k,-1,4,1);RC(a,b);c=a.n.A.c;a.n.x||(c-=a.n.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function VF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25/f):1<a.t&&(e=75/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e}
function LF(a,b,c){var d,e,f,g,h;if(0==c.indexOf($c)&&aC(c,bd))c=c.substr(1,c.length-1-1),a.d[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Ca)&&(f=!0);-1<c.indexOf(rb)&&(f=!0);-1<c.indexOf(oa)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(pb);e=c.indexOf(ac);g=bj(c.indexOf(Ba),c.indexOf(Ea));if(-1<d){h=Fn(c,d+1);try{a.n.w=BA(h,10)}catch(i){if(i=hi(i),y(i,112))a.n.w=0;else throw i;}a.D=b;SF(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.d[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
g-0));a.d[b]=C(d,Mb)?3:C(d,Ib)?2:C(d,nc)?4:C(d,uc)?5:C(d,wc)?7:C(d,Lc)?8:C(d,Xb)?9:C(d,Qb)?10:C(d,Lb)?11:C(d,cc)?12:C(d,ac)?1:C(d,Nc)?13:C(d,Oc)?6:C(d,xc)?19:C(d,Ac)?20:C(d,Bc)?21:C(d,Cc)?22:18;18==a.d[b]&&(a.o[b]=d);c+=da;d=0;0<e&&(d=1,e=JB(c,++e),48<=e&&57>=e&&(d=e-48));18==a.d[b]&&(a.x[b]=d);d=0;if(0<g&&(e=JB(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=JB(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=JB(c,g++);for(;45==e;)--d,e=JB(c,g++)}a.A[b]=d}}}
function lB(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new VA(b);try{for(;b.k=OA(b,b.b),b.k<b.j;)d=WB(BA(RA(b),10)).b,c=e=WB(BA(RA(b),10)).b,(0>c||6<c)&&(c=0),a.c[d]=c}catch(f){if(f=hi(f),y(f,112))Mm(f);else throw f;}}function wG(a,b,c,d,e){b=hG(a,b,c);5!=a.i[b]&&oG(a,b)?d.b.b+=ub:3==a.s[b]?d.b.b+=oa:9==a.s[b]?(e=xb,a=a.f[b],null!=a&&(e=a),Pm(d.b,e)):1==e[b]?d.b.b+=$a:-1==e[b]&&(d.b.b+=ad)}
function TF(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Rp(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Rp(a.n,"Stereomarking allowed only on single and double bonds!")}
function uG(a,b,c,d,e){var f,g,h,i,l,m,n,o,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);n=m=b=0;o=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:n=g);0<n&&c[m]>c[n]&&(g=m,m=n,n=g);i=hG(a,e,m);0!=d[i]?b=m:1==a.s[i]&&5!=a.i[i]&&(b=m);0==b&&(i=hG(a,e,n),0!=d[i]?b=n:1==a.s[i]&&5!=a.i[i]&&(b=n));c[b]>c[e]&&(o=!0);h=n=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==n?n=g:h=g);0<h&&c[n]<c[h]&&(g=n,
n=h,h=g);i=hG(a,f,n);1==a.s[i]&&5!=a.i[i]&&0==d[i]&&(m=n);0==m&&(i=hG(a,f,h),1==a.s[i]&&5!=a.i[i]&&(m=h));if(!(0==b||0==m))if(i=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(i*i+g*g),0.001>l&&(l=0.001),g/=l,i/=l,n=(a.M[b]-a.M[e])*i-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*i-(a.J[m]-a.J[e])*g,2>(0>=n?0-n:n)||2>(0>=q?0-q:q))Rp(a.n,"Not unique E/Z geometry !");else{h=hG(a,b,e);f=hG(a,m,f);m=1;if(0==d[h]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(i=hG(a,b,g),0!=d[i])){c[g]>c[b]?m=-d[i]:m=d[i];break}d[h]=m}0==
d[f]&&(0<n&&0<q||0>n&&0>q?d[f]=-d[h]:d[f]=d[h],o&&(d[f]=-d[f]))}}}function mG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=hG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(oG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function vG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0}
function WC(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=mG(c,d);if(-1==e)c.x[d]=0;else{switch(c.d[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]=
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function DF(a,b){var c,d,e,f,g,h,i;nF.call(this,a);f=j;h=BF(b);if(null!=h){i=new UA(b,h,!0);for(e=1;4>=e;++e)f=CF(i,h);g=WB(BA(xn(f.substr(0,3)),10)).b;c=WB(BA(xn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)UF(this),f=CF(i,h),this.J[e]=(new VB(SB(xn(f.substr(0,10))))).b,this.M[e]=-(new VB(SB(xn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=xn(f.substr(31,d-31)),LF(this,e,d),62<=f.length&&(f=xn(f.substr(60,3)),0<f.length&&(f=WB(BA(f,10)).b,0<f&&(this.D=e,a.w=f,SF(this),this.D=0)));for(e=1;e<=c;++e)TC(this),
f=CF(i,h),this.H[e]=WB(BA(xn(f.substr(0,3)),10)).b,this.I[e]=WB(BA(xn(f.substr(3,3)),10)).b,g=WB(BA(xn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=WB(BA(xn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);nG(this);VF(this);lF(this);for(xB(this);(i.k=OA(i,i.b),i.k<i.j)&&!(null==(f=RA(i)));){if(0==f.indexOf("M  END"))break;if(0==f.indexOf("M  CHG")){g=new TA(f);RA(g);RA(g);h=WB(BA(RA(g),10)).b;
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function wB(a,b){var c,d,e,f,g;nF.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));aC(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new TA(b);d=WB(BA(RA(f),10)).b;e=WB(BA(RA(f),10)).b;for(c=1;c<=d;++c)g=RA(f),UF(this),LF(this,this.t,g),this.J[c]=(new VB(SB(RA(f)))).b,this.M[c]=-(new VB(SB(RA(f)))).b;for(c=1;c<=e;++c)if(TC(this),this.H[c]=WB(BA(RA(f),10)).b,this.I[c]=WB(BA(RA(f),10)).b,this.s[c]=WB(BA(RA(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]=
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function FF(a,b,c){var d,e,f;nF.call(this,a);f=v(E,r,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.b[a]==c&&(UF(this),this.d[this.t]=b.d[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.c[this.t]=b.c[a],this.e[this.t]=b.e[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))TC(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.f[this.u]=b.f[a];for(a=
1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.k=b.k;xB(this);lF(this)}
function OF(a,b,c){var d,e,f,g,h;nF.call(this,a);for(a=1;a<=c;++a)this.t+=b[a].t,this.u+=b[a].u,this.y+=b[a].y;this.d=v(E,r,-1,this.t+1,1);this.A=v(E,r,-1,this.t+1,1);this.x=v(E,r,-1,this.t+1,1);this.c=v(E,r,-1,this.t+1,1);this.e=v(fr,k,1,this.t+1,0);this.J=v(QC,k,-1,this.t+1,1);this.M=v(QC,k,-1,this.t+1,1);this.o=v(fr,k,1,this.t+1,0);this.H=v(E,r,-1,this.u+1,1);this.I=v(E,r,-1,this.u+1,1);this.s=v(E,r,-1,this.u+1,1);this.f=v(fr,k,1,this.u+1,0);this.B=v(E,r,-1,this.u+1,1);this.q=Vq([this.y+1,2]);
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function jF(a){var b;eG(this);this.n=a.n;this.t=a.t;this.u=a.u;this.y=a.y;this.d=v(E,r,-1,this.t+1,1);hC(a.d,this.d,this.t+1);this.A=v(E,r,-1,this.t+1,1);hC(a.A,this.A,this.t+1);this.x=v(E,r,-1,this.t+1,1);hC(a.x,this.x,this.t+1);this.c=v(E,r,-1,this.t+1,1);hC(a.c,this.c,this.t+1);this.e=v(fr,k,1,this.t+1,0);hC(a.e,this.e,this.t+1);this.J=v(QC,k,-1,this.t+1,1);hC(a.J,this.J,this.t+1);this.M=v(QC,k,-1,this.t+1,1);hC(a.M,this.M,this.t+1);this.o=v(fr,k,1,this.t+1,0);hC(a.o,this.o,this.t+1);this.H=v(E,
r,-1,this.u+1,1);hC(a.H,this.H,this.u+1);this.I=v(E,r,-1,this.u+1,1);hC(a.I,this.I,this.u+1);this.s=v(E,r,-1,this.u+1,1);hC(a.s,this.s,this.u+1);this.f=v(fr,k,1,this.u+1,0);hC(a.f,this.f,this.u+1);this.B=v(E,r,-1,this.u+1,1);hC(a.B,this.B,this.u+1);this.q=Vq([this.y+1,2]);for(b=1;b<=this.y;++b)this.q[b][0]=a.q[b][0],this.q[b][1]=a.q[b][1];this.k=a.k}
function WF(a,b,c){var d,e,f;if(0==c)return MF(G(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=I(H($B(a*Math.pow(10,c))))/Math.pow(10,c);e=j+(new VB(a)).b;d=yn(e,zn(46));0>d&&(e+=Za,d=yn(e,zn(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=db;if(0==b)return e;e.length>b&&(e=xb);c=j;for(a=1;a<=b-e.length;++a)c+=da;return c+e}function BF(a){var b;b=new UA(a,ba,!0);if(4<NA(b))return ba;b=new UA(a,Ug,!0);return 4<NA(b)?Ug:null}
function MF(a,b){var c,d,e;d=j+(new T(a)).b;d.length>b&&(d=xb);e=j;for(c=1;c<=b-d.length;++c)e+=da;return e+d}function CF(a,b){for(var c,d;a.k=OA(a,a.b),a.k<a.j;){d=RA(a);if(C(d,b))return da;for(RA(a);;)if(c=d.charCodeAt(d.length-1),124==c||10==c||13==c){if(d=d.substr(0,d.length-1-0),0==d.length)return da}else break;return d}return null}s(540,1,{127:1},nF,DF,wB,FF,OF,jF);_.b=null;_.i=null;_.k=0;_.n=null;_.p=!1;_.r=0;_.t=0;_.u=0;_.v=0;_.w=!1;_.y=0;_.C=!1;_.D=0;_.E=0;_.F=0;_.L=0;_.O=0;
function Sp(){Sp=u;Tp=new Vz(ac)}
function IF(a,b){var c;Sp();var d;$E.call(this);this.b=new yy("help");this.c=b;L(this,(dF(),qB));this.Tb&&qz(this.Tb.d,!1);nz(this,!1);d=ix(b);if(1==a)xG||(xG=new Jz(d),kx(xG,-80,-100)),this.i=xG,c=tB(b),this.Tb&&pz(this.Tb.d.I.c,Mc),Px(this,new ty(2)),this.d=new Vz(c+"     "),P(this,this.d,Pb),d=new Tx,P(d,this.f,null),this.c.ub&&(c=new yy("Submit"),P(d,c,null)),P(this,d,Pc),Uz(this.d,xn(Kn(this.d.Tb.b.pb,Mg))),this.Tb&&qz(this.Tb.d,!0),nz(this,!0);else if(2==a)yG||(yG=new Jz(d),kx(yG,-120,13*b.X-
80)),this.i=yG,this.Tb&&pz(this.Tb.d.I.c,"nonstandard atom"),Px(this,new ty(2)),c=new Tx,P(c,new Cz("atomic SMILES",1),null),P(this,c,sc),c=ac,Tp&&(c=Kn(Tp.Tb.b.pb,Mg)),Tp=new Wz(c,8),P(this,Tp,Pb),c=new Tx,P(c,this.f,null),P(this,c,Pc);else{zG||(zG=new Jz(d),kx(zG,12*b.X+10,-20));var e,f;d="about "+(dF(),aB);this.Tb&&pz(this.Tb.d.I.c,d);Px(this,new yz(0));L(this,qB);P(this,new Cz(aB+" Molecular Editor v2013.01",1),null);P(this,new Cz("Peter Ertl and Bruno Bienfait",1),null);for(c=eF,e=0,f=c.length;e<
f;++e)d=c[e],P(this,new Cz(d,1),null);c=new Tx;P(c,this.b,null);P(c,this.f,null);P(this,c,null);this.i=zG}mz(this);c=this.i;$D(this.Tb.d,c.b,c.c);!hx(this)&&Mx(this);wx(this)}s(541,532,Hh,IF);_.qf=function(a){var b,c;if(a.i==this.b){try{b=new vA(this.c.G),c=uA(b),$wnd.open(c,"_top ",j)}catch(d){if(d=hi(d),y(d,104))b=d,nA(),a=this.c,b=b.i,a.gb=!0,a.I="ERROR - "+b;else throw d;}return!0}return!1};_.c=null;var zG=_.d=null,Tp,yG=null,xG=null;function AG(a,b){gx(b)==a.b?L(b,(Ey(),My)):L(b,a.b)}
function BG(a){var b,c,d,e;e=j;d=!1;gx(CG)!=a.b?(e=Aa,d=!0):gx(DG)!=a.b?(e="!#6",d=!0):gx(EG)!=a.b?(L(FG,(Ey(),My)),L(GG,My),L(HG,My),L(IG,My),e="F,Cl,Br,I"):(b=gx(JG)!=a.b,c=gx(KG)!=a.b,gx(LG)!=a.b&&(b?e+="c,":c?e+="C,":e+="#6,"),gx(MG)!=a.b&&(b?e+="n,":c?e+="N,":e+="#7,"),gx(NG)!=a.b&&(b?e+="o,":c?e+="O,":e+="#8,"),gx(OG)!=a.b&&(b?e+="s,":c?e+="S,":e+="#16,"),gx(PG)!=a.b&&(b?e+="p,":c?e+="P,":e+="#15,"),gx(FG)!=a.b&&(e+="F,"),gx(GG)!=a.b&&(e+="Cl,"),gx(HG)!=a.b&&(e+="Br,"),gx(IG)!=a.b&&(e+="I,"),
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function aH(a){hH(a);iH(a);var b=SG.Tb.b;Mv(b,0);b.pb.options[0].selected=!0;b=TG.Tb.b;Mv(b,0);b.pb.options[0].selected=!0;L(JG,a.b);L(KG,a.b);L(QG,a.b);L(RG,a.b);L(SG,a.b);L(TG,a.b);jH(a)}function hH(a){L(LG,a.b);L(MG,a.b);L(NG,a.b);L(OG,a.b);L(PG,a.b);L(FG,a.b);L(GG,a.b);L(HG,a.b);L(IG,a.b)}function iH(a){L(CG,a.b);L(DG,a.b);L(EG,a.b)}function jH(a){L(UG,a.b);L(VG,a.b);L(WG,a.b);L(YG,a.b);a.c=!1}
function JF(a){oz.call(this,"Atom/Bond Query");this.f=new yy(this.pf());by(this.p,new aF(this));this.b=(dF(),qB);this.d=a;kH||(a=ix(a),kH=new Jz(a),kx(kH,-150,-50));this.i=kH;Px(this,new xz);L(this,this.b);a=new Tx;Px(a,new bz(0,3,1));P(a,new Bz("Atom type :"),null);CG=new yy(Fb);DG=new yy("Any except C");EG=new yy("Halogen");P(a,CG,null);P(a,DG,null);P(a,EG,null);P(this,a,null);a=new Tx;Px(a,new bz(0,3,1));P(a,new Cz("Or select one or more from the list :",0),null);P(this,a,null);a=new Tx;Px(a,new bz(0,
3,1));LG=new yy(Mb);MG=new yy(nc);NG=new yy(uc);OG=new yy(Lc);PG=new yy(wc);FG=new yy(Xb);GG=new yy(Qb);HG=new yy(Lb);IG=new yy(cc);P(a,LG,null);P(a,MG,null);P(a,NG,null);P(a,OG,null);P(a,PG,null);P(a,FG,null);P(a,GG,null);P(a,HG,null);P(a,IG,null);P(this,a,null);a=new Tx;Px(a,new bz(0,3,1));SG=new Cy;By(SG,Fb);By(SG,db);By(SG,gb);By(SG,nb);By(SG,ob);P(a,new Bz("Number of hydrogens :  "),null);P(a,SG,null);P(this,a,null);a=new Tx;Px(a,new bz(0,3,1));TG=new Cy;By(TG,Fb);By(TG,db);By(TG,gb);By(TG,nb);
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